#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfa n PHE -1 N 0.00 -0.81 -1.42 -0.72 3.01 -1.26 -4.88 117.46 111.39 3dfa n PHE -1 Ca 0.00 0.35 -0.31 0.00 1.01 0.00 0.00 57.45 58.50 3dfa n PHE -1 Cb 0.00 -1.77 0.07 0.00 -0.01 0.00 0.00 39.48 37.77 3dfa n PHE -1 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3dfa s GLN 0 N -5.88 2.60 0.00 -1.08 -0.21 -1.26 -4.90 119.66 108.93 3dfa s GLN 0 Ca 0.04 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.48 3dfa s GLN 0 Cb -0.02 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.05 3dfa s GLN 0 CO 0.63 -1.37 0.00 0.41 -2.12 0.00 0.00 175.29 172.84 3dfa n GLY 1 N -1.60 0.16 0.26 3.09 0.00 -1.26 -4.97 105.19 100.87 3dfa n GLY 1 Ca 0.08 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.41 3dfa n GLY 1 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dfa h THR 2 N -0.42 0.22 0.13 2.61 1.35 -1.98 -3.26 112.91 111.56 3dfa h THR 2 Ca 0.00 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3dfa h THR 2 Cb 0.00 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3dfa h THR 2 CO 0.00 0.08 -0.06 0.15 -0.25 0.00 0.00 175.52 175.44 3dfa h PHE 3 N 0.00 -0.16 0.00 4.73 3.57 -1.94 -3.15 116.94 120.00 3dfa h PHE 3 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3dfa h PHE 3 Cb 0.59 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3dfa h PHE 3 CO 0.00 0.32 -0.15 0.00 -2.23 0.00 0.00 178.31 176.26 3dfa h ALA 4 N -0.13 1.57 0.00 2.41 0.00 -1.72 0.61 119.26 122.00 3dfa h ALA 4 Ca -0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3dfa h ALA 4 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3dfa h ALA 4 CO 0.03 0.19 -0.71 0.93 0.00 0.00 0.00 179.25 179.69 3dfa h GLU 5 N 0.00 0.00 0.01 0.00 5.08 -1.68 -3.34 114.58 114.65 3dfa h GLU 5 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3dfa h GLU 5 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3dfa h GLU 5 CO 0.02 0.71 -2.17 -2.13 -1.00 0.00 0.00 179.01 174.44 3dfa n ARG 6 N -3.56 0.67 -4.20 2.33 0.63 -0.60 -4.85 116.66 107.08 3dfa n ARG 6 Ca -0.00 0.13 -0.15 0.00 -0.92 0.00 0.00 57.85 56.91 3dfa n ARG 6 Cb 0.72 -1.62 -0.11 0.00 0.45 0.00 0.00 32.46 31.91 3dfa n ARG 6 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3dfa s TYR 7 N -2.53 1.16 -0.03 -0.14 1.51 0.20 -0.38 117.35 117.15 3dfa s TYR 7 Ca -0.14 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 3dfa s TYR 7 Cb 0.07 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.33 3dfa s TYR 7 CO 0.79 0.04 0.05 0.54 -1.11 0.00 0.00 175.55 175.86 3dfa s ASN 8 N -2.61 0.44 0.28 2.29 4.22 -1.13 -4.16 114.94 114.27 3dfa s ASN 8 Ca 0.09 0.07 -0.30 0.00 -2.14 0.00 0.00 52.86 50.58 3dfa s ASN 8 Cb -0.02 -0.07 -0.13 0.00 1.28 0.00 0.00 41.25 42.31 3dfa s ASN 8 CO 0.01 -0.17 1.41 2.30 -2.04 0.00 0.00 177.10 178.60 3dfa n ILE 9 N 4.59 1.24 -0.09 0.54 -0.00 -1.26 -3.46 119.36 120.91 3dfa n ILE 9 Ca -0.19 -0.31 -0.17 0.00 -0.00 0.00 0.00 62.75 62.07 3dfa n ILE 9 Cb 0.50 -1.58 -0.11 0.00 -0.00 0.00 0.00 39.64 38.45 3dfa n ILE 9 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3dfa h VAL 10 N 2.97 1.02 -2.79 7.28 2.07 -0.59 -3.47 116.25 122.73 3dfa h VAL 10 Ca -0.46 -2.07 0.10 0.00 0.82 0.00 0.00 66.70 65.10 3dfa h VAL 10 Cb 1.27 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 3dfa h VAL 10 CO 0.73 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.97 3dfa s MET 12 N -3.72 4.49 0.09 0.00 1.75 -1.26 -1.18 119.30 119.48 3dfa s MET 12 Ca 0.11 1.10 0.19 0.00 -1.25 0.00 0.00 55.69 55.84 3dfa s MET 12 Cb -0.05 -3.43 -0.11 0.00 2.84 0.00 0.00 34.83 34.08 3dfa s MET 12 CO 0.06 0.07 0.85 1.28 -0.65 0.00 0.00 175.02 176.63 3dfa n LEU 13 N 3.62 0.78 0.00 4.11 4.32 0.54 -4.86 117.00 125.51 3dfa n LEU 13 Ca 0.01 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3dfa n LEU 13 Cb 0.51 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3dfa n LEU 13 CO 0.49 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3dfa n GLY 14 N 1.33 4.05 3.75 -0.72 0.00 -1.11 -4.99 105.19 107.50 3dfa n GLY 14 Ca -0.07 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 3dfa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfa s LYS 15 N -3.31 4.24 0.15 1.61 3.01 -1.26 -1.75 119.74 122.43 3dfa s LYS 15 Ca 0.00 2.36 0.01 0.00 -1.01 0.00 0.00 55.97 57.33 3dfa s LYS 15 Cb 0.00 -3.08 0.01 0.00 -1.01 0.00 0.00 37.83 33.75 3dfa s LYS 15 CO 0.00 -0.44 0.09 0.41 0.51 0.00 0.00 175.35 175.92 3dfa n GLY 16 N 1.91 3.18 0.24 -3.33 0.00 0.17 -4.86 105.19 102.50 3dfa n GLY 16 Ca 0.06 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 43.99 3dfa n GLY 16 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dfa h SER 17 N 0.21 0.00 0.00 1.61 4.64 -1.98 -3.29 113.55 114.74 3dfa h SER 17 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dfa h SER 17 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3dfa h SER 17 CO 0.15 0.12 -0.63 0.49 -0.87 0.00 0.00 176.83 176.09 3dfa n PHE 18 N -3.23 0.00 -1.59 4.77 3.01 -1.26 -0.48 117.46 118.68 3dfa n PHE 18 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3dfa n PHE 18 Cb 0.40 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 3dfa n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dfa n GLY 19 N 1.35 -0.16 3.77 1.37 0.00 -1.24 -4.57 105.19 105.71 3dfa n GLY 19 Ca 0.01 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 3dfa n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dfa s GLU 20 N -2.00 4.40 -0.17 1.61 4.04 -1.23 0.44 118.70 125.78 3dfa s GLU 20 Ca 0.00 1.67 -0.02 0.00 0.04 0.00 0.00 54.97 56.65 3dfa s GLU 20 Cb 0.00 -2.87 -0.01 0.00 0.02 0.00 0.00 34.13 31.27 3dfa s GLU 20 CO 0.00 0.03 -0.08 0.08 -1.84 0.00 0.00 175.26 173.45 3dfa s VAL 21 N -1.40 3.31 0.12 1.83 1.01 -0.72 -1.48 120.40 123.07 3dfa s VAL 21 Ca 0.51 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.04 3dfa s VAL 21 Cb -0.27 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3dfa s VAL 21 CO 0.35 0.48 -0.18 -0.76 0.00 0.00 0.00 175.10 174.98 3dfa s LEU 22 N 0.85 2.70 -0.28 3.92 1.02 0.43 -0.34 118.68 126.98 3dfa s LEU 22 Ca -0.02 -0.57 -0.14 0.00 0.02 0.00 0.00 54.13 53.42 3dfa s LEU 22 Cb -0.15 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3dfa s LEU 22 CO 0.01 0.18 0.34 -0.75 0.02 0.00 0.00 176.35 176.14 3dfa s LYS 23 N -2.17 3.94 0.11 1.70 2.20 -0.32 -0.04 119.74 125.16 3dfa s LYS 23 Ca 0.18 -0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.79 3dfa s LYS 23 Cb -0.10 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3dfa s LYS 23 CO 0.10 -0.29 -0.23 0.00 -0.36 0.00 0.00 175.35 174.56 3dfa s LYS 25 N -1.94 2.91 0.22 0.00 1.02 -1.22 -0.32 119.74 120.41 3dfa s LYS 25 Ca 0.09 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3dfa s LYS 25 Cb -0.10 -2.71 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 3dfa s LYS 25 CO 0.05 0.67 1.34 0.34 -0.92 0.00 0.00 175.35 176.83 3dfa s ASP 26 N -0.80 6.83 0.46 2.83 -1.08 -0.59 -2.84 116.67 121.47 3dfa s ASP 26 Ca 0.12 2.49 0.26 0.00 -0.52 0.00 0.00 52.55 54.90 3dfa s ASP 26 Cb -0.11 -2.62 0.89 0.00 -1.46 0.00 0.00 42.92 39.62 3dfa s ASP 26 CO 0.02 -0.57 1.81 0.03 0.52 0.00 0.00 175.17 176.98 3dfa h ARG 27 N 5.11 0.00 0.00 4.34 3.08 -1.04 -2.39 114.38 123.47 3dfa h ARG 27 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3dfa h ARG 27 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3dfa h ARG 27 CO 0.76 0.15 -0.74 -0.89 -1.07 0.00 0.00 179.97 178.18 3dfa n ILE 28 N -3.25 1.13 0.18 2.04 5.41 -1.26 -4.69 119.36 118.91 3dfa n ILE 28 Ca 0.01 0.23 0.05 0.00 1.00 0.00 0.00 62.75 64.04 3dfa n ILE 28 Cb 0.44 -2.13 0.24 0.00 -0.71 0.00 0.00 39.64 37.48 3dfa n ILE 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3dfa h THR 29 N -0.74 0.83 0.00 1.39 1.35 -1.96 -3.47 112.91 110.31 3dfa h THR 29 Ca 0.00 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3dfa h THR 29 Cb 0.74 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3dfa h THR 29 CO 0.00 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 175.66 3dfa n GLN 30 N -3.40 -0.53 -2.34 4.72 1.13 -0.90 -5.00 117.38 111.06 3dfa n GLN 30 Ca 0.01 0.13 -0.34 0.00 -1.94 0.00 0.00 57.00 54.86 3dfa n GLN 30 Cb 0.58 -3.54 -0.02 0.00 0.11 0.00 0.00 30.24 27.37 3dfa n GLN 30 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3dfa s GLN 31 N -0.56 3.59 -0.07 -1.09 0.74 -1.26 -4.66 119.66 116.35 3dfa s GLN 31 Ca 0.00 1.32 -0.03 0.00 0.05 0.00 0.00 55.36 56.69 3dfa s GLN 31 Cb 0.00 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.01 3dfa s GLN 31 CO 0.00 -0.60 0.08 -1.21 -0.55 0.00 0.00 175.29 173.01 3dfa s GLU 32 N -3.56 3.18 0.06 1.67 2.02 -1.26 -1.54 118.70 119.28 3dfa s GLU 32 Ca 0.66 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.33 3dfa s GLU 32 Cb -0.17 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3dfa s GLU 32 CO 0.27 0.71 -0.05 0.71 0.02 0.00 0.00 175.26 176.92 3dfa s TYR 33 N -1.05 0.64 -0.40 1.61 2.02 0.56 -4.56 117.35 116.18 3dfa s TYR 33 Ca 0.17 -0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 55.92 3dfa s TYR 33 Cb -0.12 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 3dfa s TYR 33 CO 0.07 -0.20 0.35 0.00 -1.57 0.00 0.00 175.55 174.20 3dfa s ALA 34 N -2.83 3.46 -0.21 3.71 0.00 -0.57 -0.73 121.76 124.59 3dfa s ALA 34 Ca 0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.33 3dfa s ALA 34 Cb -0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3dfa s ALA 34 CO -0.04 -1.44 0.01 0.08 0.00 0.00 0.00 175.76 174.37 3dfa s VAL 35 N 1.87 4.00 -0.34 0.00 1.01 0.94 -1.45 120.40 126.42 3dfa s VAL 35 Ca 0.08 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3dfa s VAL 35 Cb -0.18 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3dfa s VAL 35 CO 0.11 0.41 0.55 -0.54 0.00 0.00 0.00 175.10 175.63 3dfa s LYS 36 N 1.13 3.70 -0.30 2.72 1.02 -0.20 -0.43 119.74 127.37 3dfa s LYS 36 Ca 0.03 -0.03 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 3dfa s LYS 36 Cb -0.14 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 3dfa s LYS 36 CO 0.02 -0.63 0.84 0.08 -0.92 0.00 0.00 175.35 174.74 3dfa s VAL 37 N 2.47 4.75 -0.19 3.17 1.01 -0.55 -1.10 120.40 129.96 3dfa s VAL 37 Ca 0.21 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.49 3dfa s VAL 37 Cb -0.15 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3dfa s VAL 37 CO 0.13 -0.28 -0.16 -0.63 0.00 0.00 0.00 175.10 174.16 3dfa s ILE 38 N 3.06 1.89 0.23 2.22 1.01 0.29 -3.51 121.20 126.39 3dfa s ILE 38 Ca 0.35 -0.97 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 3dfa s ILE 38 Cb -0.14 -1.80 -0.13 0.00 0.01 0.00 0.00 42.46 40.40 3dfa s ILE 38 CO 0.13 0.39 1.47 -3.20 0.00 0.00 0.00 174.94 173.72 3dfa n ASN 39 N 4.64 2.95 0.30 3.58 2.85 -1.26 0.45 115.26 128.78 3dfa n ASN 39 Ca -0.18 1.13 0.17 0.00 -0.11 0.00 0.00 54.58 55.59 3dfa n ASN 39 Cb 0.48 -1.45 0.98 0.00 1.24 0.00 0.00 39.78 41.04 3dfa n ASN 39 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3dfa h LYS 40 N 4.68 0.00 0.00 1.20 1.57 -1.35 0.58 116.57 123.24 3dfa h LYS 40 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3dfa h LYS 40 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3dfa h LYS 40 CO 0.79 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 3dfa h ALA 41 N 1.98 1.00 -0.00 3.86 0.00 -1.90 -2.51 119.26 121.70 3dfa h ALA 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfa h ALA 41 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dfa h ALA 41 CO 0.00 0.00 -0.07 0.45 0.00 0.00 0.00 179.25 179.63 3dfa n SER 42 N -2.71 0.31 -4.73 0.00 2.88 0.19 -4.87 113.62 104.70 3dfa n SER 42 Ca 0.01 -0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 56.67 3dfa n SER 42 Cb 0.23 -0.13 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 3dfa n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dfa s ALA 43 N -2.49 3.80 -0.29 -1.46 0.00 -0.95 -0.14 121.76 120.24 3dfa s ALA 43 Ca 0.29 1.51 0.22 0.00 0.00 0.00 0.00 51.96 53.98 3dfa s ALA 43 Cb 0.20 -3.65 0.11 0.00 0.00 0.00 0.00 23.12 19.78 3dfa s ALA 43 CO 0.47 -0.89 1.24 0.87 0.00 0.00 0.00 175.76 177.44 3dfa h LYS 44 N 5.93 0.00 -5.21 0.00 1.57 -1.39 -3.45 116.57 114.02 3dfa h LYS 44 Ca -0.45 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.66 3dfa h LYS 44 Cb 1.21 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.19 3dfa h LYS 44 CO 0.87 0.04 -0.85 1.21 -0.57 0.00 0.00 179.45 180.15 3dfa s ASN 45 N -5.72 3.27 0.46 0.86 3.84 -1.26 -5.01 114.94 111.37 3dfa s ASN 45 Ca 0.02 -0.56 0.20 0.00 0.21 0.00 0.00 52.86 52.73 3dfa s ASN 45 Cb 0.08 -1.48 1.10 0.00 -0.55 0.00 0.00 41.25 40.40 3dfa s ASN 45 CO 0.75 0.09 1.96 0.07 -2.79 0.00 0.00 177.10 177.18 3dfa h LYS 46 N 7.25 0.00 -5.86 0.43 2.10 -1.99 -3.37 116.57 115.13 3dfa h LYS 46 Ca -0.31 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.74 3dfa h LYS 46 Cb 1.19 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.41 3dfa h LYS 46 CO 0.55 0.22 0.91 0.34 -2.00 0.00 0.00 179.45 179.47 3dfa s ASP 47 N -6.55 6.26 0.36 7.07 3.68 -1.26 -4.90 116.67 121.32 3dfa s ASP 47 Ca -0.03 -0.94 0.09 0.00 2.13 0.00 0.00 52.55 53.80 3dfa s ASP 47 Cb 0.14 -2.49 0.82 0.00 -1.45 0.00 0.00 42.92 39.93 3dfa s ASP 47 CO 0.65 -1.58 1.89 0.74 0.13 0.00 0.00 175.17 177.01 3dfa h THR 48 N 6.10 0.87 -0.44 1.71 2.02 -2.02 -2.47 112.91 118.68 3dfa h THR 48 Ca -0.18 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3dfa h THR 48 Cb 1.05 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3dfa h THR 48 CO 1.25 0.12 0.21 0.77 0.37 0.00 0.00 175.52 178.24 3dfa h SER 49 N 0.68 0.54 -0.48 4.18 4.64 -1.94 -0.49 113.55 120.69 3dfa h SER 49 Ca 0.42 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3dfa h SER 49 Cb 0.65 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3dfa h SER 49 CO -0.18 0.47 0.31 0.74 -0.87 0.00 0.00 176.83 177.30 3dfa h THR 50 N 0.61 1.13 -0.50 2.95 2.02 -1.84 -1.57 112.91 115.70 3dfa h THR 50 Ca 0.15 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3dfa h THR 50 Cb 0.07 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3dfa h THR 50 CO -0.02 0.13 0.21 0.40 0.37 0.00 0.00 175.52 176.61 3dfa h ILE 51 N 0.65 1.21 0.00 3.11 2.04 -1.26 -1.97 117.51 121.29 3dfa h ILE 51 Ca 0.18 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3dfa h ILE 51 Cb -0.06 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3dfa h ILE 51 CO -0.04 0.24 -0.09 -0.07 0.00 0.00 0.00 178.15 178.20 3dfa h LEU 52 N 0.67 0.00 -0.02 1.44 3.38 -0.88 -1.78 115.31 118.13 3dfa h LEU 52 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3dfa h LEU 52 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dfa h LEU 52 CO -0.02 0.09 -0.55 -0.09 0.09 0.00 0.00 178.44 177.96 3dfa h ARG 53 N 0.00 0.40 -0.12 1.13 9.65 -0.98 -1.34 114.38 123.12 3dfa h ARG 53 Ca -0.00 -0.41 0.04 0.00 -1.10 0.00 0.00 59.98 58.51 3dfa h ARG 53 Cb 0.17 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 3dfa h ARG 53 CO 0.01 1.07 -0.12 0.93 2.80 0.00 0.00 179.97 184.66 3dfa h GLU 54 N -0.11 -0.15 -0.64 0.20 4.39 -1.02 -1.74 114.58 115.51 3dfa h GLU 54 Ca -0.06 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3dfa h GLU 54 Cb 1.25 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 3dfa h GLU 54 CO 0.11 -0.10 0.38 0.28 -1.16 0.00 0.00 179.01 178.53 3dfa h VAL 55 N -0.15 1.19 -0.51 3.13 2.07 -1.39 -1.83 116.25 118.75 3dfa h VAL 55 Ca 0.09 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.27 3dfa h VAL 55 Cb 0.28 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 3dfa h VAL 55 CO -0.21 0.19 0.15 -0.08 0.02 0.00 0.00 177.57 177.64 3dfa h GLU 56 N 0.87 0.29 -1.00 1.57 4.57 -0.97 0.15 114.58 120.06 3dfa h GLU 56 Ca 0.23 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 3dfa h GLU 56 Cb -0.02 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 3dfa h GLU 56 CO -0.04 0.20 0.65 -0.07 -1.18 0.00 0.00 179.01 178.56 3dfa h LEU 57 N 0.30 1.06 -1.04 1.64 3.38 -0.85 -2.24 115.31 117.56 3dfa h LEU 57 Ca 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3dfa h LEU 57 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dfa h LEU 57 CO -0.29 0.70 -0.37 -0.07 0.09 0.00 0.00 178.44 178.51 3dfa h LEU 58 N 1.21 0.22 -1.27 1.67 3.38 -0.26 -2.95 115.31 117.31 3dfa h LEU 58 Ca 0.42 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3dfa h LEU 58 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dfa h LEU 58 CO -0.15 0.58 -0.34 0.11 0.09 0.00 0.00 178.44 178.73 3dfa h LYS 59 N 0.19 0.04 0.00 1.13 1.57 -0.17 -2.80 116.57 116.52 3dfa h LYS 59 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3dfa h LYS 59 Cb 0.74 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dfa h LYS 59 CO 0.06 0.38 -0.12 0.87 -0.57 0.00 0.00 179.45 180.06 3dfa h LYS 60 N 0.04 0.00 -7.15 3.15 6.56 -1.33 -3.46 116.57 114.38 3dfa h LYS 60 Ca 0.00 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.11 3dfa h LYS 60 Cb 0.62 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.31 3dfa h LYS 60 CO 0.05 0.12 0.38 -0.51 -2.06 0.00 0.00 179.45 177.42 3dfa s LEU 61 N -6.32 3.66 -0.28 2.94 1.43 -1.06 -5.07 118.68 113.98 3dfa s LEU 61 Ca 0.04 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.89 3dfa s LEU 61 Cb 0.07 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.90 3dfa s LEU 61 CO 0.65 -0.89 0.56 -0.62 0.23 0.00 0.00 176.35 176.29 3dfa s ASP 62 N -2.54 -0.94 -0.17 2.29 -1.08 -1.26 -4.90 116.67 108.07 3dfa s ASP 62 Ca 0.64 1.07 -0.11 0.00 -0.52 0.00 0.00 52.55 53.63 3dfa s ASP 62 Cb -0.15 1.97 0.05 0.00 -1.46 0.00 0.00 42.92 43.34 3dfa s ASP 62 CO 0.29 -0.25 0.41 -2.28 0.52 0.00 0.00 175.17 173.87 3dfa s HIS 63 N 2.80 -0.57 0.51 -5.34 2.46 -1.26 -5.05 115.29 108.83 3dfa s HIS 63 Ca 0.07 1.25 0.36 0.00 0.47 0.00 0.00 55.06 57.21 3dfa s HIS 63 Cb -0.14 0.24 1.51 0.00 -0.13 0.00 0.00 32.58 34.07 3dfa s HIS 63 CO -0.18 -0.31 1.72 -1.35 -2.47 0.00 0.00 174.74 172.14 3dfa h PRO 64 N 6.72 0.07 -0.61 2.88 0.11 -1.98 0.17 132.00 139.35 3dfa h PRO 64 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3dfa h PRO 64 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dfa h PRO 64 CO 0.28 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 3dfa n ASN 65 N -4.28 4.54 -4.08 -2.05 5.03 -1.26 -4.81 115.26 108.35 3dfa n ASN 65 Ca 0.32 -2.42 -0.31 0.00 0.87 0.00 0.00 54.58 53.04 3dfa n ASN 65 Cb 1.40 -0.55 -0.16 0.00 -1.02 0.00 0.00 39.78 39.45 3dfa n ASN 65 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dfa s ILE 66 N -1.78 1.79 0.20 2.41 -1.09 0.59 -1.02 121.20 122.30 3dfa s ILE 66 Ca 0.49 -0.78 -0.33 0.00 -2.23 0.00 0.00 60.65 57.80 3dfa s ILE 66 Cb 0.31 -1.64 -0.13 0.00 -1.58 0.00 0.00 42.46 39.42 3dfa s ILE 66 CO 0.24 0.50 1.53 0.80 -1.23 0.00 0.00 174.94 176.77 3dfa n MET 67 N 4.55 2.18 -2.73 2.79 1.56 -0.45 -4.57 117.12 120.45 3dfa n MET 67 Ca -0.19 0.78 -0.42 0.00 -0.27 0.00 0.00 57.70 57.61 3dfa n MET 67 Cb 0.50 -2.52 -0.04 0.00 2.15 0.00 0.00 33.22 33.32 3dfa n MET 67 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 3dfa s LYS 68 N 0.36 4.60 -0.32 2.12 2.47 -1.26 -4.86 119.74 122.85 3dfa s LYS 68 Ca 0.74 1.40 -0.10 0.00 -1.56 0.00 0.00 55.97 56.45 3dfa s LYS 68 Cb -0.65 -3.43 -0.00 0.00 -1.46 0.00 0.00 37.83 32.29 3dfa s LYS 68 CO 0.42 0.05 0.16 -1.17 0.16 0.00 0.00 175.35 174.97 3dfa s LEU 69 N 0.65 4.20 -0.17 5.43 2.96 -1.26 -2.28 118.68 128.21 3dfa s LEU 69 Ca 0.50 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.63 3dfa s LEU 69 Cb -0.22 -2.01 -0.16 0.00 0.50 0.00 0.00 46.19 44.31 3dfa s LEU 69 CO 0.28 -0.22 0.24 -0.26 -1.32 0.00 0.00 176.35 175.07 3dfa h PHE 70 N 8.36 0.00 -3.21 5.38 -1.00 -0.71 -3.39 116.94 122.38 3dfa h PHE 70 Ca -0.31 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.49 3dfa h PHE 70 Cb 1.14 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.63 3dfa h PHE 70 CO 0.63 0.93 0.11 -1.83 -1.61 0.00 0.00 178.31 176.55 3dfa s GLU 71 N -2.22 1.66 -0.10 1.51 -1.05 -1.09 -4.96 118.70 112.44 3dfa s GLU 71 Ca -0.21 -1.03 0.02 0.00 -0.15 0.00 0.00 54.97 53.61 3dfa s GLU 71 Cb 0.02 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 3dfa s GLU 71 CO 0.48 -0.74 -0.16 -1.50 0.95 0.00 0.00 175.26 174.29 3dfa s ILE 72 N -3.93 1.55 0.31 1.83 -1.16 -1.26 -0.47 121.20 118.07 3dfa s ILE 72 Ca 0.13 -0.68 0.06 0.00 -0.51 0.00 0.00 60.65 59.65 3dfa s ILE 72 Cb -0.04 -1.40 -0.06 0.00 0.61 0.00 0.00 42.46 41.57 3dfa s ILE 72 CO 0.06 0.45 -0.02 -0.76 -2.81 0.00 0.00 174.94 171.85 3dfa s LEU 73 N 0.85 2.48 0.01 8.50 1.43 -0.16 -4.94 118.68 126.84 3dfa s LEU 73 Ca -0.09 -1.26 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 3dfa s LEU 73 Cb -0.15 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 3dfa s LEU 73 CO 0.00 -0.42 -0.14 -1.61 0.23 0.00 0.00 176.35 174.42 3dfa s GLU 74 N -3.76 1.02 0.13 1.70 2.02 -1.26 -0.27 118.70 118.28 3dfa s GLU 74 Ca 0.32 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.74 3dfa s GLU 74 Cb 0.06 -1.00 0.02 0.00 0.10 0.00 0.00 34.13 33.30 3dfa s GLU 74 CO 0.14 0.27 0.14 -0.25 0.02 0.00 0.00 175.26 175.58 3dfa n ASP 75 N 2.42 0.90 0.09 -0.19 8.00 0.78 -3.45 116.55 125.10 3dfa n ASP 75 Ca -0.16 -1.39 -0.04 0.00 0.71 0.00 0.00 54.79 53.92 3dfa n ASP 75 Cb 0.55 -0.06 0.16 0.00 -0.02 0.00 0.00 41.12 41.76 3dfa n ASP 75 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3dfa h SER 76 N 0.08 0.23 0.00 -2.24 0.02 -1.97 -3.38 113.55 106.29 3dfa h SER 76 Ca -0.07 -0.12 -0.32 0.00 -0.84 0.00 0.00 61.79 60.44 3dfa h SER 76 Cb 0.29 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 3dfa h SER 76 CO 0.11 0.73 -2.22 -1.20 -1.14 0.00 0.00 176.83 173.11 3dfa n SER 77 N -3.92 0.62 -3.91 3.07 7.64 -1.26 -4.97 113.62 110.89 3dfa n SER 77 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 3dfa n SER 77 Cb 0.57 0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 64.65 3dfa n SER 77 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dfa s SER 78 N -5.18 0.07 0.21 6.43 1.04 -1.26 -0.91 113.70 114.10 3dfa s SER 78 Ca -0.09 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 3dfa s SER 78 Cb 0.05 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 3dfa s SER 78 CO 0.73 -0.82 0.42 -0.36 0.98 0.00 0.00 173.24 174.19 3dfa s PHE 79 N -3.92 3.48 -0.23 5.02 0.08 0.17 -0.15 117.98 122.43 3dfa s PHE 79 Ca 0.12 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.60 3dfa s PHE 79 Cb 0.04 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 3dfa s PHE 79 CO -0.05 0.35 -0.02 0.71 -0.10 0.00 0.00 175.22 176.11 3dfa s TYR 80 N -1.88 2.00 -0.49 0.36 1.51 0.62 -0.55 117.35 118.93 3dfa s TYR 80 Ca 0.40 -1.52 -0.20 0.00 -1.01 0.00 0.00 57.07 54.74 3dfa s TYR 80 Cb -0.11 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 3dfa s TYR 80 CO 0.28 -0.73 0.67 0.42 -1.11 0.00 0.00 175.55 175.08 3dfa s ILE 81 N 1.53 4.79 -0.39 2.71 -1.09 -0.26 -0.99 121.20 127.50 3dfa s ILE 81 Ca -0.04 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 57.96 3dfa s ILE 81 Cb -0.18 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.41 3dfa s ILE 81 CO -0.07 -0.78 0.78 -0.69 -1.23 0.00 0.00 174.94 172.94 3dfa s VAL 82 N 2.87 4.71 0.20 2.92 1.01 0.38 -1.04 120.40 131.46 3dfa s VAL 82 Ca 0.20 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3dfa s VAL 82 Cb -0.17 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 3dfa s VAL 82 CO 0.15 -0.53 0.07 0.61 0.00 0.00 0.00 175.10 175.40 3dfa n GLY 83 N 4.70 3.70 3.76 4.51 0.00 -0.53 0.07 105.19 121.40 3dfa n GLY 83 Ca 0.03 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3dfa n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfa s GLU 84 N -2.77 4.17 -0.04 1.61 2.02 -0.97 -1.51 118.70 121.22 3dfa s GLU 84 Ca 0.09 2.48 -0.22 0.00 0.02 0.00 0.00 54.97 57.34 3dfa s GLU 84 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3dfa s GLU 84 CO 0.07 -0.53 0.65 -1.17 0.02 0.00 0.00 175.26 174.30 3dfa s LEU 85 N -0.87 4.36 -0.07 1.80 2.96 -1.26 -4.17 118.68 121.43 3dfa s LEU 85 Ca 0.59 1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 3dfa s LEU 85 Cb -0.45 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.25 3dfa s LEU 85 CO 0.50 -0.02 0.29 -0.47 -1.32 0.00 0.00 176.35 175.34 3dfa s TYR 86 N 0.34 -0.25 -0.05 5.38 5.04 -1.26 -4.98 117.35 121.57 3dfa s TYR 86 Ca 0.34 0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 3dfa s TYR 86 Cb -0.18 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.25 3dfa s TYR 86 CO 0.18 -0.25 -0.00 0.95 -1.34 0.00 0.00 175.55 175.09 3dfa s THR 87 N -0.45 0.32 0.38 4.34 -4.23 -1.26 -5.10 115.64 109.64 3dfa s THR 87 Ca -0.06 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.63 3dfa s THR 87 Cb -0.04 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 3dfa s THR 87 CO 0.02 0.22 0.14 -0.83 -0.54 0.00 0.00 174.62 173.63 3dfa s GLY 89 N 1.58 2.21 0.48 3.99 0.00 -1.26 -4.46 107.32 109.86 3dfa s GLY 89 Ca -0.01 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 42.49 3dfa s GLY 89 CO -0.03 -1.88 0.98 -0.54 0.00 0.00 0.00 173.10 171.63 3dfa s GLU 90 N -3.86 4.01 0.54 2.90 2.02 -1.26 -1.24 118.70 121.81 3dfa s GLU 90 Ca 0.39 1.06 0.21 0.00 0.02 0.00 0.00 54.97 56.65 3dfa s GLU 90 Cb 0.02 -2.14 1.39 0.00 0.10 0.00 0.00 34.13 33.49 3dfa s GLU 90 CO 0.22 -0.22 2.11 1.25 0.02 0.00 0.00 175.26 178.64 3dfa h LEU 91 N 1.31 0.00 -0.49 1.80 5.85 0.29 -1.86 115.31 122.22 3dfa h LEU 91 Ca -0.48 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.28 3dfa h LEU 91 Cb 1.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3dfa h LEU 91 CO 0.61 0.00 0.24 0.15 -0.34 0.00 0.00 178.44 179.10 3dfa h PHE 92 N 0.00 0.44 -0.17 1.25 3.57 -1.73 -0.95 116.94 119.36 3dfa h PHE 92 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3dfa h PHE 92 Cb 0.32 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3dfa h PHE 92 CO 0.00 0.21 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.77 3dfa h ASP 93 N 0.47 0.24 0.15 0.41 3.45 -1.67 -2.29 116.42 117.18 3dfa h ASP 93 Ca 0.21 -0.04 -0.17 0.00 0.43 0.00 0.00 57.03 57.46 3dfa h ASP 93 Cb 0.13 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3dfa h ASP 93 CO -0.16 0.35 -0.65 -0.08 -1.57 0.00 0.00 179.24 177.13 3dfa h GLU 94 N 0.25 0.48 -0.22 3.56 4.57 -1.28 -2.42 114.58 119.51 3dfa h GLU 94 Ca 0.05 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3dfa h GLU 94 Cb 0.30 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3dfa h GLU 94 CO 0.01 0.97 0.13 0.82 -1.18 0.00 0.00 179.01 179.77 3dfa h ILE 95 N 0.34 1.09 -0.69 2.32 2.04 -0.67 -0.32 117.51 121.61 3dfa h ILE 95 Ca -0.02 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.72 3dfa h ILE 95 Cb 1.22 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3dfa h ILE 95 CO 0.12 0.09 0.34 0.40 0.00 0.00 0.00 178.15 179.09 3dfa h ILE 96 N 0.27 0.85 0.16 -0.67 2.04 -1.39 0.78 117.51 119.54 3dfa h ILE 96 Ca 0.08 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3dfa h ILE 96 Cb 0.02 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3dfa h ILE 96 CO -0.01 0.11 -0.08 0.50 0.00 0.00 0.00 178.15 178.67 3dfa h LYS 97 N 0.58 -0.21 0.00 2.37 3.64 -1.04 -3.32 116.57 118.60 3dfa h LYS 97 Ca 0.34 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3dfa h LYS 97 Cb 0.35 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3dfa h LYS 97 CO -0.26 0.21 -0.45 0.00 -2.27 0.00 0.00 179.45 176.67 3dfa h ARG 98 N -0.71 0.00 0.00 1.90 3.08 -1.09 -3.48 114.38 114.08 3dfa h ARG 98 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dfa h ARG 98 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3dfa h ARG 98 CO 0.04 0.18 0.00 1.63 -1.07 0.00 0.00 179.97 180.75 3dfa n LYS 99 N -3.05 0.00 -4.11 0.04 4.76 0.26 -4.75 118.16 111.32 3dfa n LYS 99 Ca 0.01 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 3dfa n LYS 99 Cb 0.63 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.71 3dfa n LYS 99 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dfa s ARG 100 N 0.00 0.66 0.02 1.97 0.52 -1.26 -3.97 118.95 116.89 3dfa s ARG 100 Ca 0.00 -1.19 0.08 0.00 -0.52 0.00 0.00 55.73 54.09 3dfa s ARG 100 Cb 0.00 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 3dfa s ARG 100 CO 0.00 -0.07 -0.21 -0.06 0.02 0.00 0.00 175.30 174.98 3dfa s PHE 101 N -3.52 2.47 0.75 -0.53 0.40 0.14 -5.02 117.98 112.66 3dfa s PHE 101 Ca 0.06 -0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 3dfa s PHE 101 Cb 0.05 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 42.16 3dfa s PHE 101 CO -0.07 0.16 1.14 -1.54 0.70 0.00 0.00 175.22 175.61 3dfa s SER 102 N -1.17 4.34 0.29 1.36 1.04 -1.26 -4.48 113.70 113.82 3dfa s SER 102 Ca 0.13 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.65 3dfa s SER 102 Cb -0.10 -2.56 0.51 0.00 0.10 0.00 0.00 66.02 63.97 3dfa s SER 102 CO 0.03 -2.15 1.90 -0.33 0.98 0.00 0.00 173.24 173.66 3dfa h GLU 103 N -0.65 1.02 0.35 4.02 5.08 -1.97 0.12 114.58 122.56 3dfa h GLU 103 Ca -0.46 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3dfa h GLU 103 Cb 1.26 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3dfa h GLU 103 CO 0.50 0.68 -0.17 1.25 -1.00 0.00 0.00 179.01 180.27 3dfa h HIS 104 N 1.05 -0.43 -0.61 4.33 2.76 -1.97 -0.72 115.15 119.56 3dfa h HIS 104 Ca 0.41 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.49 3dfa h HIS 104 Cb 0.23 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3dfa h HIS 104 CO -0.00 -0.21 0.07 -0.44 -1.30 0.00 0.00 177.93 176.04 3dfa h ASP 105 N -0.56 0.97 -0.50 3.26 3.32 -1.84 -2.64 116.42 118.45 3dfa h ASP 105 Ca -0.05 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 3dfa h ASP 105 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3dfa h ASP 105 CO 0.08 0.99 0.08 0.00 -1.72 0.00 0.00 179.24 178.67 3dfa h ALA 106 N 1.12 0.66 -0.75 3.45 0.00 -0.77 -2.93 119.26 120.05 3dfa h ALA 106 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dfa h ALA 106 Cb 0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3dfa h ALA 106 CO 0.02 0.39 0.43 0.00 0.00 0.00 0.00 179.25 180.09 3dfa h ALA 107 N 0.97 0.95 -0.47 0.00 0.00 -0.94 -0.85 119.26 118.93 3dfa h ALA 107 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dfa h ALA 107 Cb 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dfa h ALA 107 CO 0.01 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.83 3dfa h ARG 108 N 1.03 0.75 0.12 0.00 3.08 -1.46 -1.41 114.38 116.48 3dfa h ARG 108 Ca 0.27 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3dfa h ARG 108 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3dfa h ARG 108 CO -0.05 0.73 -0.06 0.82 -1.07 0.00 0.00 179.97 180.34 3dfa h ILE 109 N 0.63 0.96 0.00 2.04 5.03 -1.31 -3.18 117.51 121.68 3dfa h ILE 109 Ca 0.15 -0.29 -0.08 0.00 -0.12 0.00 0.00 64.86 64.51 3dfa h ILE 109 Cb 0.31 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 35.23 3dfa h ILE 109 CO -0.00 0.07 -0.39 -0.29 -0.68 0.00 0.00 178.15 176.86 3dfa h ILE 110 N -0.30 0.77 -0.53 -0.67 6.09 -1.13 -2.86 117.51 118.88 3dfa h ILE 110 Ca -0.02 -1.75 0.00 0.00 -1.37 0.00 0.00 64.86 61.72 3dfa h ILE 110 Cb 0.24 2.13 -0.03 0.00 0.47 0.00 0.00 36.82 39.64 3dfa h ILE 110 CO 0.03 0.38 0.33 0.50 -3.07 0.00 0.00 178.15 176.32 3dfa h LYS 111 N 0.00 0.71 -0.88 2.19 3.64 -1.30 0.63 116.57 121.56 3dfa h LYS 111 Ca -0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3dfa h LYS 111 Cb 1.10 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 3dfa h LYS 111 CO 0.05 0.50 0.47 1.96 -2.27 0.00 0.00 179.45 180.16 3dfa h GLN 112 N 0.72 1.23 -0.73 1.90 4.20 -1.50 0.84 115.11 121.76 3dfa h GLN 112 Ca 0.19 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3dfa h GLN 112 Cb -0.04 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.46 3dfa h GLN 112 CO -0.04 0.91 0.47 0.28 -0.67 0.00 0.00 178.83 179.79 3dfa h VAL 113 N 1.23 1.14 -0.53 -0.54 2.07 -1.21 -2.07 116.25 116.35 3dfa h VAL 113 Ca 0.31 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3dfa h VAL 113 Cb 0.05 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3dfa h VAL 113 CO -0.05 0.17 0.04 -0.26 0.02 0.00 0.00 177.57 177.49 3dfa h PHE 114 N 0.95 0.98 -0.61 1.57 0.04 -0.23 -1.62 116.94 118.01 3dfa h PHE 114 Ca 0.28 -0.16 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3dfa h PHE 114 Cb -0.04 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.80 3dfa h PHE 114 CO -0.03 0.89 0.36 1.03 -0.60 0.00 0.00 178.31 179.96 3dfa h SER 115 N 0.79 0.56 0.06 2.17 0.87 -0.57 0.16 113.55 117.59 3dfa h SER 115 Ca 0.15 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3dfa h SER 115 Cb 0.47 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3dfa h SER 115 CO 0.02 0.39 -0.03 1.23 -0.53 0.00 0.00 176.83 177.91 3dfa h GLY 116 N 0.69 -0.08 0.62 5.77 0.00 -1.24 -2.43 103.07 106.39 3dfa h GLY 116 Ca 0.26 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.66 3dfa h GLY 116 CO -0.13 -0.03 -0.03 -2.22 0.00 0.00 0.00 176.54 174.13 3dfa h ILE 117 N -0.34 0.81 -0.45 2.60 2.04 -1.09 -1.45 117.51 119.62 3dfa h ILE 117 Ca -0.01 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3dfa h ILE 117 Cb 0.30 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3dfa h ILE 117 CO 0.01 0.00 -0.14 0.74 0.00 0.00 0.00 178.15 178.76 3dfa h THR 118 N 0.02 0.49 -0.66 -0.27 2.02 -0.70 0.16 112.91 113.97 3dfa h THR 118 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3dfa h THR 118 Cb 0.14 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3dfa h THR 118 CO -0.20 0.00 0.26 0.22 0.37 0.00 0.00 175.52 176.18 3dfa h TYR 119 N -0.04 1.00 -0.22 3.16 3.20 -1.01 -1.29 116.97 121.79 3dfa h TYR 119 Ca 0.22 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 3dfa h TYR 119 Cb 0.37 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3dfa h TYR 119 CO -0.42 0.79 -0.56 0.52 -1.64 0.00 0.00 178.16 176.85 3dfa h MET 120 N 0.93 0.66 0.00 1.82 2.86 -0.79 -3.12 114.93 117.29 3dfa h MET 120 Ca 0.22 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3dfa h MET 120 Cb 0.21 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3dfa h MET 120 CO -0.02 1.04 -0.34 0.45 1.06 0.00 0.00 176.91 179.10 3dfa h HIS 121 N 0.51 0.00 0.00 -0.22 3.86 -0.44 -0.78 115.15 118.08 3dfa h HIS 121 Ca 0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3dfa h HIS 121 Cb 1.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 3dfa h HIS 121 CO 0.05 0.34 -0.12 -0.22 0.86 0.00 0.00 177.93 178.85 3dfa h LYS 122 N 0.00 0.00 -0.53 2.45 3.64 -1.18 -2.12 116.57 118.83 3dfa h LYS 122 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3dfa h LYS 122 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3dfa h LYS 122 CO 0.04 0.12 0.04 0.72 -2.27 0.00 0.00 179.45 178.11 3dfa n HIS 123 N -4.28 1.89 -1.24 1.91 8.25 -0.46 -4.94 115.22 116.35 3dfa n HIS 123 Ca -0.03 -0.84 -0.08 0.00 -0.26 0.00 0.00 57.72 56.51 3dfa n HIS 123 Cb 0.20 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 30.77 3dfa n HIS 123 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3dfa n ASN 124 N 0.24 -5.19 -4.57 0.41 3.02 -0.80 -4.96 115.26 103.41 3dfa n ASN 124 Ca 0.28 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.64 3dfa n ASN 124 Cb 1.16 -3.41 -0.09 0.00 -0.61 0.00 0.00 39.78 36.83 3dfa n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dfa s ILE 125 N -1.90 5.16 -0.17 2.41 1.09 -0.43 -4.98 121.20 122.39 3dfa s ILE 125 Ca 0.00 0.26 -0.07 0.00 -1.10 0.00 0.00 60.65 59.73 3dfa s ILE 125 Cb 0.00 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 3dfa s ILE 125 CO 0.00 -0.00 0.08 -0.69 -0.10 0.00 0.00 174.94 174.22 3dfa s VAL 126 N 2.06 4.93 -0.02 2.92 1.01 -1.26 -3.82 120.40 126.22 3dfa s VAL 126 Ca 0.13 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3dfa s VAL 126 Cb -0.16 -3.21 -0.15 0.00 0.00 0.00 0.00 36.38 32.86 3dfa s VAL 126 CO 0.11 0.48 1.01 -0.74 0.00 0.00 0.00 175.10 175.96 3dfa h HIS 127 N 6.43 -0.37 0.00 5.22 2.76 -1.94 -3.37 115.15 123.88 3dfa h HIS 127 Ca -0.40 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 3dfa h HIS 127 Cb 1.17 0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.25 3dfa h HIS 127 CO 0.59 -0.02 0.00 0.54 -1.30 0.00 0.00 177.93 177.74 3dfa n ARG 128 N -5.08 0.00 -2.35 5.26 1.74 -1.26 -4.53 116.66 110.44 3dfa n ARG 128 Ca -0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 3dfa n ARG 128 Cb 0.27 -1.13 0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3dfa n ARG 128 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dfa n ASP 129 N 0.00 1.86 -4.64 0.55 9.92 -1.26 -5.00 116.55 117.99 3dfa n ASP 129 Ca 0.00 -2.31 -0.42 0.00 -0.53 0.00 0.00 54.79 51.53 3dfa n ASP 129 Cb 0.00 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 3dfa n ASP 129 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3dfa s LEU 130 N -2.93 4.05 0.11 0.64 1.43 -1.26 -4.88 118.68 115.84 3dfa s LEU 130 Ca 0.32 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.54 3dfa s LEU 130 Cb 0.35 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3dfa s LEU 130 CO -0.06 -1.32 0.17 -1.59 0.23 0.00 0.00 176.35 173.78 3dfa s LYS 131 N 4.95 0.93 0.57 1.70 -2.85 -1.26 -4.80 119.74 118.98 3dfa s LYS 131 Ca 0.86 -1.13 0.27 0.00 -1.00 0.00 0.00 55.97 54.96 3dfa s LYS 131 Cb -0.35 0.32 1.68 0.00 -2.06 0.00 0.00 37.83 37.42 3dfa s LYS 131 CO 0.36 -0.30 2.22 -1.35 0.10 0.00 0.00 175.35 176.38 3dfa h PRO 132 N 2.75 0.00 0.00 1.78 0.11 -1.93 0.94 132.00 135.65 3dfa h PRO 132 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3dfa h PRO 132 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dfa h PRO 132 CO 0.55 0.01 -0.10 0.93 -0.21 0.00 0.00 178.00 179.19 3dfa h GLU 133 N 0.00 0.00 -0.67 1.05 3.07 -1.94 -2.54 114.58 113.55 3dfa h GLU 133 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfa h GLU 133 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3dfa h GLU 133 CO 0.00 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.80 3dfa n ASN 134 N -3.50 3.78 -4.06 1.42 3.02 0.32 -4.84 115.26 111.40 3dfa n ASN 134 Ca -0.02 -2.10 -0.31 0.00 -0.03 0.00 0.00 54.58 52.13 3dfa n ASN 134 Cb 0.24 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 3dfa n ASN 134 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dfa s ILE 135 N -1.27 1.74 0.14 2.41 1.01 -1.03 -1.52 121.20 122.68 3dfa s ILE 135 Ca 0.45 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3dfa s ILE 135 Cb 0.25 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3dfa s ILE 135 CO 0.29 0.49 0.19 -0.76 0.00 0.00 0.00 174.94 175.14 3dfa s LEU 136 N 1.34 4.04 0.00 2.97 1.02 -0.21 0.35 118.68 128.18 3dfa s LEU 136 Ca 0.03 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.20 3dfa s LEU 136 Cb -0.13 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.44 3dfa s LEU 136 CO -0.10 0.08 0.00 0.18 0.02 0.00 0.00 176.35 176.53 3dfa n LEU 137 N -0.28 0.00 -3.62 1.79 4.77 -0.37 -1.64 117.00 117.65 3dfa n LEU 137 Ca -0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 3dfa n LEU 137 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3dfa n LEU 137 CO 0.46 0.00 1.10 -0.75 -1.33 0.00 0.00 177.39 176.87 3dfa s LYS 142 N 5.00 0.16 0.00 3.23 2.36 -1.26 -4.68 119.74 124.54 3dfa s LYS 142 Ca 0.00 -0.05 0.00 0.00 -2.55 0.00 0.00 55.97 53.37 3dfa s LYS 142 Cb 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 3dfa s LYS 142 CO 0.00 -0.07 0.00 -3.47 1.55 0.00 0.00 175.35 173.36 3dfa n ASP 143 N 0.04 0.00 0.00 1.43 -0.08 -1.26 -5.08 116.55 111.59 3dfa n ASP 143 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3dfa n ASP 143 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 3dfa n ASP 143 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dfa s ASP 145 N -0.11 7.21 -0.03 0.00 -0.00 -1.26 -4.90 116.67 117.58 3dfa s ASP 145 Ca 0.00 1.47 0.02 0.00 -0.00 0.00 0.00 52.55 54.03 3dfa s ASP 145 Cb 0.00 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.38 3dfa s ASP 145 CO 0.00 -0.20 -0.06 0.27 -0.00 0.00 0.00 175.17 175.18 3dfa s ILE 146 N 0.91 3.75 -0.04 0.77 -0.00 -1.26 -4.26 121.20 121.08 3dfa s ILE 146 Ca 0.46 -0.61 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 3dfa s ILE 146 Cb -0.20 -2.59 0.03 0.00 -0.00 0.00 0.00 42.46 39.70 3dfa s ILE 146 CO 0.24 0.49 -0.01 -0.54 -0.00 0.00 0.00 174.94 175.12 3dfa s LYS 147 N -1.15 0.46 -0.16 0.37 1.02 -0.65 -4.41 119.74 115.22 3dfa s LYS 147 Ca 0.15 0.04 -0.22 0.00 0.02 0.00 0.00 55.97 55.96 3dfa s LYS 147 Cb -0.11 -0.61 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 3dfa s LYS 147 CO 0.05 -0.14 0.68 0.42 -0.92 0.00 0.00 175.35 175.44 3dfa s ILE 148 N 1.08 5.01 0.31 2.17 1.01 -0.18 -1.05 121.20 129.55 3dfa s ILE 148 Ca -0.09 1.33 0.02 0.00 0.00 0.00 0.00 60.65 61.91 3dfa s ILE 148 Cb -0.14 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3dfa s ILE 148 CO -0.01 0.14 0.48 0.27 0.00 0.00 0.00 174.94 175.81 3dfa s ILE 149 N 1.64 5.05 -1.39 2.92 -4.36 -0.57 -1.34 121.20 123.15 3dfa s ILE 149 Ca 0.33 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 3dfa s ILE 149 Cb -0.16 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.73 3dfa s ILE 149 CO 0.12 -0.44 0.00 0.47 0.24 0.00 0.00 174.94 175.33 3dfa n ASP 150 N -1.66 -4.51 -4.61 4.36 10.43 -1.26 -4.87 116.55 114.43 3dfa n ASP 150 Ca -0.06 0.17 -0.43 0.00 2.57 0.00 0.00 54.79 57.05 3dfa n ASP 150 Cb 0.57 -3.86 -0.03 0.00 1.84 0.00 0.00 41.12 39.64 3dfa n ASP 150 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3dfa s PHE 151 N -2.67 1.61 0.00 1.24 2.19 -1.26 -1.83 117.98 117.26 3dfa s PHE 151 Ca 0.00 0.52 0.00 0.00 0.33 0.00 0.00 56.93 57.78 3dfa s PHE 151 Cb 0.00 -4.05 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 3dfa s PHE 151 CO 0.00 -3.47 0.00 0.41 1.83 0.00 0.00 175.22 173.99 3dfa n GLY 152 N 5.38 0.33 0.16 13.12 0.00 -1.26 -4.96 105.19 117.95 3dfa n GLY 152 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 3dfa n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfa h LEU 153 N 0.00 0.00 -2.44 0.99 3.38 -1.68 -3.26 115.31 112.31 3dfa h LEU 153 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dfa h LEU 153 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dfa h LEU 153 CO 0.00 0.52 -0.02 0.77 0.09 0.00 0.00 178.44 179.80 3dfa h SER 154 N 0.00 0.00 1.47 -0.43 4.64 -1.77 -0.04 113.55 117.42 3dfa h SER 154 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3dfa h SER 154 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3dfa h SER 154 CO 0.07 0.02 -0.42 0.71 -0.87 0.00 0.00 176.83 176.33 3dfa h THR 155 N 0.00 0.75 0.16 2.95 1.35 -1.88 -3.34 112.91 112.89 3dfa h THR 155 Ca -0.00 -1.98 -0.35 0.00 -0.55 0.00 0.00 66.41 63.53 3dfa h THR 155 Cb 0.17 2.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3dfa h THR 155 CO 0.00 0.41 -1.84 0.00 -0.25 0.00 0.00 175.52 173.85 3dfa s PHE 157 N -2.57 1.07 0.15 0.00 0.08 -0.25 -1.07 117.98 115.38 3dfa s PHE 157 Ca -0.18 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 3dfa s PHE 157 Cb 0.06 -0.67 -0.07 0.00 -0.57 0.00 0.00 43.02 41.77 3dfa s PHE 157 CO 0.82 -0.01 0.96 -1.14 -0.10 0.00 0.00 175.22 175.75 3dfa s GLN 158 N -0.50 4.74 0.70 0.44 2.00 0.80 -4.42 119.66 123.42 3dfa s GLN 158 Ca 0.03 1.47 -0.02 0.00 -2.00 0.00 0.00 55.36 54.84 3dfa s GLN 158 Cb -0.05 -3.34 0.10 0.00 0.80 0.00 0.00 33.01 30.51 3dfa s GLN 158 CO -0.00 0.30 0.97 -0.65 -0.50 0.00 0.00 175.29 175.41 3dfa s GLN 159 N -0.37 1.89 0.31 1.67 -0.21 -1.26 -4.85 119.66 116.83 3dfa s GLN 159 Ca 0.45 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.70 3dfa s GLN 159 Cb -0.24 -2.31 -0.10 0.00 1.00 0.00 0.00 33.01 31.36 3dfa s GLN 159 CO 0.31 -1.31 1.27 -0.80 -2.12 0.00 0.00 175.29 172.63 3dfa s ASN 160 N -4.64 6.88 -0.29 5.90 0.01 0.37 -4.98 114.94 118.19 3dfa s ASN 160 Ca 0.64 2.58 0.16 0.00 -0.71 0.00 0.00 52.86 55.53 3dfa s ASN 160 Cb -0.07 -2.64 0.48 0.00 0.41 0.00 0.00 41.25 39.43 3dfa s ASN 160 CO 0.44 -0.45 1.11 0.35 -1.51 0.00 0.00 177.10 177.04 3dfa n THR 161 N 1.02 1.72 -1.45 1.60 -2.24 -1.26 -4.79 114.28 108.89 3dfa n THR 161 Ca 0.00 -3.51 -0.29 0.00 -2.27 0.00 0.00 64.05 57.98 3dfa n THR 161 Cb 0.42 0.24 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 3dfa n THR 161 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dfa s LYS 162 N -3.63 1.05 0.24 -0.78 -0.14 -1.26 -4.70 119.74 110.52 3dfa s LYS 162 Ca 0.36 0.38 -0.07 0.00 -1.36 0.00 0.00 55.97 55.29 3dfa s LYS 162 Cb 0.37 -1.82 0.44 0.00 -1.68 0.00 0.00 37.83 35.14 3dfa s LYS 162 CO -0.02 -2.28 1.65 0.00 -0.76 0.00 0.00 175.35 173.95 3dfa h MET 163 N -1.56 0.14 -0.70 1.68 3.00 -1.99 -0.20 114.93 115.30 3dfa h MET 163 Ca -0.51 -0.01 0.02 0.00 0.00 0.00 0.00 59.70 59.20 3dfa h MET 163 Cb 1.33 -0.03 -0.04 0.00 0.00 0.00 0.00 31.60 32.86 3dfa h MET 163 CO 0.61 0.09 0.46 -0.22 0.00 0.00 0.00 176.91 177.84 3dfa h LYS 164 N 0.14 0.89 -0.31 -0.10 3.64 -2.00 -2.08 116.57 116.75 3dfa h LYS 164 Ca 0.41 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 3dfa h LYS 164 Cb 0.71 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3dfa h LYS 164 CO -0.61 0.59 0.13 -0.44 -2.27 0.00 0.00 179.45 176.85 3dfa h ASP 165 N 0.92 0.43 -0.42 4.20 5.19 -1.41 -3.02 116.42 122.30 3dfa h ASP 165 Ca 0.27 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 3dfa h ASP 165 Cb -0.06 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3dfa h ASP 165 CO -0.08 0.47 -0.06 0.03 -3.12 0.00 0.00 179.24 176.48 3dfa h ARG 166 N 0.36 0.79 -0.67 3.56 3.08 -0.90 -1.44 114.38 119.16 3dfa h ARG 166 Ca 0.10 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3dfa h ARG 166 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3dfa h ARG 166 CO -0.01 0.89 0.38 0.82 -1.07 0.00 0.00 179.97 180.99 3dfa h ILE 167 N 0.62 1.20 -0.42 2.04 5.03 -1.46 -0.82 117.51 123.70 3dfa h ILE 167 Ca 0.11 -0.47 -0.03 0.00 -0.12 0.00 0.00 64.86 64.35 3dfa h ILE 167 Cb 0.57 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 3dfa h ILE 167 CO 0.03 0.21 0.15 1.23 -0.68 0.00 0.00 178.15 179.10 3dfa h GLY 168 N 0.91 0.69 1.25 5.37 0.00 -1.38 -2.48 103.07 107.44 3dfa h GLY 168 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3dfa h GLY 168 CO -0.04 0.37 0.40 -0.84 0.00 0.00 0.00 176.54 176.43 3dfa h THR 169 N 0.54 1.21 -0.75 4.70 2.02 -1.13 -3.25 112.91 116.25 3dfa h THR 169 Ca 0.14 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3dfa h THR 169 Cb 0.23 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3dfa h THR 169 CO -0.01 0.23 0.41 0.00 0.37 0.00 0.00 175.52 176.52 3dfa h ALA 170 N 1.45 1.32 -0.62 6.16 0.00 -0.67 -2.59 119.26 124.32 3dfa h ALA 170 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dfa h ALA 170 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3dfa h ALA 170 CO -0.04 0.56 0.39 1.88 0.00 0.00 0.00 179.25 182.04 3dfa h TYR 171 N 1.04 0.79 0.00 0.00 -1.99 -1.57 -3.31 116.97 111.93 3dfa h TYR 171 Ca 0.26 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3dfa h TYR 171 Cb 0.02 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.49 3dfa h TYR 171 CO 0.01 0.52 -0.67 0.66 -0.00 0.00 0.00 178.16 178.67 3dfa n TYR 172 N -4.43 0.00 -2.31 4.88 4.01 -1.03 -4.77 117.16 113.51 3dfa n TYR 172 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 3dfa n TYR 172 Cb 0.06 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3dfa n TYR 172 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3dfa s ILE 173 N -2.33 3.44 0.50 -0.72 2.07 -1.00 -3.94 121.20 119.22 3dfa s ILE 173 Ca 0.05 1.19 -0.20 0.00 -1.41 0.00 0.00 60.65 60.28 3dfa s ILE 173 Cb 0.11 -3.76 -0.08 0.00 0.13 0.00 0.00 42.46 38.86 3dfa s ILE 173 CO 0.58 0.18 1.05 0.00 -1.91 0.00 0.00 174.94 174.84 3dfa s ALA 174 N 0.10 2.83 0.30 1.50 0.00 -1.26 -4.97 121.76 120.25 3dfa s ALA 174 Ca 0.55 0.63 0.01 0.00 0.00 0.00 0.00 51.96 53.15 3dfa s ALA 174 Cb -0.34 -3.27 0.54 0.00 0.00 0.00 0.00 23.12 20.05 3dfa s ALA 174 CO 0.37 -0.42 1.88 -1.35 0.00 0.00 0.00 175.76 176.24 3dfa h PRO 175 N 1.43 0.99 -0.63 0.00 0.11 -1.90 -2.05 132.00 129.95 3dfa h PRO 175 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3dfa h PRO 175 Cb 1.23 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3dfa h PRO 175 CO 0.59 0.65 0.33 0.93 -0.21 0.00 0.00 178.00 180.29 3dfa h GLU 176 N 1.01 0.87 -0.42 1.05 3.07 -1.89 -2.31 114.58 115.96 3dfa h GLU 176 Ca 0.43 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 3dfa h GLU 176 Cb 0.32 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3dfa h GLU 176 CO -0.19 0.65 0.07 0.28 -1.40 0.00 0.00 179.01 178.42 3dfa h VAL 177 N 0.88 1.20 -0.29 3.13 2.07 -0.81 -0.27 116.25 122.16 3dfa h VAL 177 Ca 0.22 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3dfa h VAL 177 Cb 0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3dfa h VAL 177 CO -0.03 0.27 -0.06 -0.07 0.02 0.00 0.00 177.57 177.69 3dfa h LEU 178 N 0.62 0.56 -0.28 2.57 3.38 -1.41 -3.00 115.31 117.75 3dfa h LEU 178 Ca 0.14 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3dfa h LEU 178 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dfa h LEU 178 CO 0.00 0.78 0.00 0.54 0.09 0.00 0.00 178.44 179.86 3dfa n ARG 179 N -4.51 0.06 0.00 1.13 1.74 -0.71 -4.86 116.66 109.51 3dfa n ARG 179 Ca -0.03 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3dfa n ARG 179 Cb 0.31 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3dfa n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfa n GLY 180 N -0.35 1.34 3.08 -0.13 0.00 -0.21 -5.08 105.19 103.84 3dfa n GLY 180 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3dfa n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfa s THR 181 N -2.00 0.33 0.02 2.61 -4.23 -0.59 -5.00 115.64 106.78 3dfa s THR 181 Ca 0.00 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 3dfa s THR 181 Cb 0.00 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.68 3dfa s THR 181 CO 0.00 -0.80 0.32 -0.72 -0.54 0.00 0.00 174.62 172.88 3dfa s TYR 182 N -3.06 -0.16 0.00 3.99 1.13 -1.26 -2.11 117.35 115.88 3dfa s TYR 182 Ca 0.01 0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 3dfa s TYR 182 Cb 0.02 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 3dfa s TYR 182 CO -0.06 -0.47 0.00 -0.40 -2.51 0.00 0.00 175.55 172.11 3dfa n ASP 183 N 0.82 0.00 0.16 -0.18 5.68 -1.26 -5.03 116.55 116.74 3dfa n ASP 183 Ca -0.20 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.18 3dfa n ASP 183 Cb 0.58 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.15 3dfa n ASP 183 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dfa h GLU 184 N 0.00 0.15 0.00 0.11 3.07 -1.96 -2.92 114.58 113.02 3dfa h GLU 184 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dfa h GLU 184 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3dfa h GLU 184 CO 0.00 0.10 0.00 0.87 -1.40 0.00 0.00 179.01 178.58 3dfa h LYS 185 N 0.15 0.00 0.00 2.33 1.79 -1.93 -1.60 116.57 117.30 3dfa h LYS 185 Ca 0.07 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 3dfa h LYS 185 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3dfa h LYS 185 CO -0.01 0.00 -0.26 0.00 -1.08 0.00 0.00 179.45 178.10 3dfa h ASP 187 N 0.00 0.10 0.02 0.00 3.32 -1.51 -2.35 116.42 116.01 3dfa h ASP 187 Ca -0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 3dfa h ASP 187 Cb 1.03 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3dfa h ASP 187 CO 0.03 0.78 -0.80 0.58 -1.72 0.00 0.00 179.24 178.11 3dfa h VAL 188 N 0.06 1.31 0.21 -1.35 2.07 -1.59 -1.79 116.25 115.17 3dfa h VAL 188 Ca -0.01 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 3dfa h VAL 188 Cb 1.26 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3dfa h VAL 188 CO 0.10 0.65 -0.12 -0.25 0.02 0.00 0.00 177.57 177.97 3dfa h TRP 189 N 0.43 -0.31 -0.45 1.57 2.91 -1.44 -0.97 115.95 117.68 3dfa h TRP 189 Ca -0.06 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 59.99 3dfa h TRP 189 Cb 1.42 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 30.14 3dfa h TRP 189 CO 0.07 -0.19 0.23 0.77 -1.03 0.00 0.00 178.44 178.29 3dfa h SER 190 N -0.31 0.34 -0.34 2.65 0.02 -1.42 -0.67 113.55 113.82 3dfa h SER 190 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dfa h SER 190 Cb 0.26 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3dfa h SER 190 CO 0.03 0.24 0.22 0.00 -1.14 0.00 0.00 176.83 176.17 3dfa h ALA 191 N 1.23 1.73 -0.50 3.77 0.00 -1.24 -1.53 119.26 122.74 3dfa h ALA 191 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dfa h ALA 191 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dfa h ALA 191 CO -0.13 0.24 0.18 0.78 0.00 0.00 0.00 179.25 180.32 3dfa h GLY 192 N 0.49 0.81 0.95 0.00 0.00 0.25 0.61 103.07 106.18 3dfa h GLY 192 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3dfa h GLY 192 CO -0.03 0.42 0.14 -2.08 0.00 0.00 0.00 176.54 175.00 3dfa h VAL 193 N 0.66 1.13 -0.49 4.60 2.07 -0.72 0.11 116.25 123.61 3dfa h VAL 193 Ca 0.16 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3dfa h VAL 193 Cb 0.22 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3dfa h VAL 193 CO -0.01 0.13 0.18 0.40 0.02 0.00 0.00 177.57 178.29 3dfa h ILE 194 N 0.31 0.84 -0.55 4.57 2.04 -1.16 -0.89 117.51 122.69 3dfa h ILE 194 Ca 0.09 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3dfa h ILE 194 Cb 0.08 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3dfa h ILE 194 CO -0.01 0.07 0.30 0.25 0.00 0.00 0.00 178.15 178.75 3dfa h LEU 195 N 0.36 0.68 -0.98 1.44 5.85 -0.48 0.82 115.31 123.01 3dfa h LEU 195 Ca 0.23 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.96 3dfa h LEU 195 Cb 0.24 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3dfa h LEU 195 CO -0.23 0.58 0.61 0.22 -0.34 0.00 0.00 178.44 179.28 3dfa h TYR 196 N 0.74 1.11 -0.24 1.25 3.20 -0.49 -2.46 116.97 120.08 3dfa h TYR 196 Ca 0.19 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.94 3dfa h TYR 196 Cb 0.04 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.96 3dfa h TYR 196 CO -0.01 0.48 -0.47 0.82 -1.64 0.00 0.00 178.16 177.33 3dfa h ILE 197 N 1.01 1.30 -1.00 1.81 2.04 -0.16 -2.28 117.51 120.23 3dfa h ILE 197 Ca 0.47 -1.68 0.15 0.00 1.00 0.00 0.00 64.86 64.80 3dfa h ILE 197 Cb 0.39 1.76 -0.09 0.00 -0.74 0.00 0.00 36.82 38.14 3dfa h ILE 197 CO -0.24 0.53 0.62 -0.07 0.00 0.00 0.00 178.15 179.00 3dfa h LEU 198 N 0.47 0.85 0.14 1.44 3.38 -0.42 0.38 115.31 121.55 3dfa h LEU 198 Ca 0.01 0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 3dfa h LEU 198 Cb 1.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3dfa h LEU 198 CO 0.11 0.39 -1.79 -0.07 0.09 0.00 0.00 178.44 177.17 3dfa h LEU 199 N 0.88 0.47 0.00 1.67 3.38 -1.48 0.40 115.31 120.63 3dfa h LEU 199 Ca 0.53 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 3dfa h LEU 199 Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3dfa h LEU 199 CO -0.30 1.69 -1.94 -1.54 0.09 0.00 0.00 178.44 176.44 3dfa n SER 200 N -3.49 1.01 -0.40 -0.43 3.41 -0.86 -4.52 113.62 108.34 3dfa n SER 200 Ca -0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.31 3dfa n SER 200 Cb 1.06 1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 66.39 3dfa n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfa n GLY 201 N 1.73 0.70 2.88 5.00 0.00 0.13 -4.90 105.19 110.74 3dfa n GLY 201 Ca -0.14 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3dfa n GLY 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfa s THR 202 N -2.19 -0.02 0.24 2.61 2.01 -1.26 -5.02 115.64 112.01 3dfa s THR 202 Ca 0.00 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 3dfa s THR 202 Cb 0.00 -0.10 -0.10 0.00 0.01 0.00 0.00 72.50 72.31 3dfa s THR 202 CO 0.00 0.03 1.41 -2.84 -0.69 0.00 0.00 174.62 172.53 3dfa s PRO 203 N 0.45 4.30 0.30 4.92 0.02 -1.26 -4.07 135.00 139.66 3dfa s PRO 203 Ca -0.04 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 3dfa s PRO 203 Cb -0.05 -3.13 0.47 0.00 0.02 0.00 0.00 34.50 31.81 3dfa s PRO 203 CO -0.02 -0.38 1.95 -1.00 -0.33 0.00 0.00 177.00 177.22 3dfa h PRO 204 N 5.08 0.99 -4.82 5.54 0.13 -1.92 -3.38 132.00 133.62 3dfa h PRO 204 Ca -0.46 -0.09 -0.68 0.00 -0.87 0.00 0.00 66.00 63.91 3dfa h PRO 204 Cb 1.22 -0.21 -0.34 0.00 0.13 0.00 0.00 31.00 31.80 3dfa h PRO 204 CO 0.77 0.70 -0.73 -0.06 -0.23 0.00 0.00 178.00 178.45 3dfa s PHE 205 N -5.74 3.22 0.41 1.56 0.40 -1.26 -4.71 117.98 111.87 3dfa s PHE 205 Ca -0.11 -1.91 0.07 0.00 -0.60 0.00 0.00 56.93 54.38 3dfa s PHE 205 Cb 0.17 -2.06 -0.07 0.00 0.51 0.00 0.00 43.02 41.57 3dfa s PHE 205 CO 0.79 -0.81 0.06 1.52 0.70 0.00 0.00 175.22 177.48 3dfa s TYR 206 N 1.23 2.52 0.00 0.36 -0.85 -1.26 -4.80 117.35 114.56 3dfa s TYR 206 Ca -0.05 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.84 3dfa s TYR 206 Cb -0.19 -1.83 0.00 0.00 0.38 0.00 0.00 41.96 40.32 3dfa s TYR 206 CO -0.03 0.37 0.00 0.41 -1.52 0.00 0.00 175.55 174.78 3dfa n GLY 207 N -1.06 3.44 0.00 5.49 0.00 -1.26 -3.85 105.19 107.94 3dfa n GLY 207 Ca -0.04 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.44 3dfa n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfa n LYS 208 N -1.01 0.36 -4.00 1.61 5.02 -1.26 -4.79 118.16 114.10 3dfa n LYS 208 Ca 0.00 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3dfa n LYS 208 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 3dfa n LYS 208 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dfa s ASN 209 N -2.63 -0.10 0.18 4.39 2.20 -1.26 -5.06 114.94 112.66 3dfa s ASN 209 Ca 0.26 -0.92 -0.14 0.00 -0.94 0.00 0.00 52.86 51.12 3dfa s ASN 209 Cb 0.20 0.59 0.16 0.00 -2.00 0.00 0.00 41.25 40.20 3dfa s ASN 209 CO 0.46 -1.15 1.72 -0.08 -2.94 0.00 0.00 177.10 175.11 3dfa h GLU 210 N 2.25 0.22 -0.14 3.55 4.81 -1.94 -2.80 114.58 120.54 3dfa h GLU 210 Ca -0.26 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3dfa h GLU 210 Cb 1.25 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 3dfa h GLU 210 CO 0.35 0.14 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.82 3dfa h TYR 211 N 0.22 -0.07 -0.69 0.92 3.20 -1.98 -2.17 116.97 116.40 3dfa h TYR 211 Ca 0.23 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3dfa h TYR 211 Cb 0.30 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3dfa h TYR 211 CO -0.22 -0.06 0.34 -0.44 -1.64 0.00 0.00 178.16 176.14 3dfa h ASP 212 N -0.00 0.90 -0.14 -2.11 5.19 -1.88 -1.84 116.42 116.54 3dfa h ASP 212 Ca 0.07 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3dfa h ASP 212 Cb 0.10 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 3dfa h ASP 212 CO -0.14 0.77 0.09 0.40 -3.12 0.00 0.00 179.24 177.24 3dfa h ILE 213 N 0.96 1.05 -0.03 0.35 2.04 -1.40 -2.97 117.51 117.51 3dfa h ILE 213 Ca 0.24 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 3dfa h ILE 213 Cb 0.10 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3dfa h ILE 213 CO -0.03 0.04 -0.25 -0.07 0.00 0.00 0.00 178.15 177.85 3dfa h LEU 214 N 0.17 0.04 -0.78 1.44 3.38 -1.01 -1.61 115.31 116.95 3dfa h LEU 214 Ca 0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3dfa h LEU 214 Cb -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dfa h LEU 214 CO -0.01 0.29 -0.16 0.11 0.09 0.00 0.00 178.44 178.76 3dfa h LYS 215 N 0.04 0.76 -0.10 1.13 1.79 -1.24 -1.31 116.57 117.64 3dfa h LYS 215 Ca 0.01 -0.27 -0.22 0.00 -2.18 0.00 0.00 60.65 57.98 3dfa h LYS 215 Cb 0.46 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3dfa h LYS 215 CO 0.03 0.87 -0.82 0.00 -1.08 0.00 0.00 179.45 178.45 3dfa h ARG 216 N 0.68 0.64 -0.38 3.15 3.08 -1.23 -2.97 114.38 117.35 3dfa h ARG 216 Ca 0.11 -0.56 0.02 0.00 0.07 0.00 0.00 59.98 59.62 3dfa h ARG 216 Cb 0.64 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3dfa h ARG 216 CO 0.05 1.18 0.20 0.28 -1.07 0.00 0.00 179.97 180.60 3dfa h VAL 217 N 0.42 1.00 -0.97 2.04 2.07 -1.26 -2.00 116.25 117.55 3dfa h VAL 217 Ca -0.06 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.47 3dfa h VAL 217 Cb 1.44 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 3dfa h VAL 217 CO 0.16 0.07 0.59 -0.08 0.02 0.00 0.00 177.57 178.33 3dfa h GLU 218 N 0.40 0.82 0.00 1.57 4.81 -1.20 -0.52 114.58 120.47 3dfa h GLU 218 Ca 0.16 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 3dfa h GLU 218 Cb 0.05 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3dfa h GLU 218 CO -0.10 0.54 -0.81 1.15 -0.73 0.00 0.00 179.01 179.06 3dfa h THR 219 N 0.84 1.54 0.00 0.32 2.02 -1.35 -3.48 112.91 112.81 3dfa h THR 219 Ca 0.52 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3dfa h THR 219 Cb 0.65 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3dfa h THR 219 CO -0.32 0.79 0.00 0.61 0.37 0.00 0.00 175.52 176.97 3dfa n GLY 220 N 0.91 0.46 3.71 2.16 0.00 -0.20 -5.01 105.19 107.22 3dfa n GLY 220 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dfa n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfa s LYS 221 N -0.34 4.28 0.23 1.61 1.02 -1.25 -4.94 119.74 120.35 3dfa s LYS 221 Ca 0.00 0.34 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 3dfa s LYS 221 Cb 0.00 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3dfa s LYS 221 CO 0.00 0.10 0.31 1.52 -0.92 0.00 0.00 175.35 176.35 3dfa s TYR 222 N 0.85 0.80 0.04 3.18 -0.85 -1.26 -4.92 117.35 115.19 3dfa s TYR 222 Ca 0.23 -1.08 0.01 0.00 -0.52 0.00 0.00 57.07 55.70 3dfa s TYR 222 Cb -0.15 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 3dfa s TYR 222 CO 0.09 -0.82 -0.05 0.00 -1.52 0.00 0.00 175.55 173.25 3dfa s ALA 223 N -4.04 0.39 -0.66 9.51 0.00 -1.26 -5.02 121.76 120.67 3dfa s ALA 223 Ca 0.31 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3dfa s ALA 223 Cb 0.03 0.15 0.43 0.00 0.00 0.00 0.00 23.12 23.72 3dfa s ALA 223 CO 0.11 -0.17 1.90 1.19 0.00 0.00 0.00 175.76 178.79 3dfa n PHE 224 N 1.13 3.13 0.11 0.00 0.99 -1.26 -4.73 117.46 116.84 3dfa n PHE 224 Ca -0.21 -2.78 0.11 0.00 -0.00 0.00 0.00 57.45 54.57 3dfa n PHE 224 Cb 0.57 -1.21 -0.02 0.00 -1.00 0.00 0.00 39.48 37.82 3dfa n PHE 224 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3dfa n ASP 225 N -0.79 0.73 -4.76 4.37 8.00 -1.26 -4.76 116.55 118.08 3dfa n ASP 225 Ca 0.58 0.27 -0.41 0.00 0.71 0.00 0.00 54.79 55.93 3dfa n ASP 225 Cb 0.60 0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 42.33 3dfa n ASP 225 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dfa s LEU 226 N -5.18 4.41 0.35 0.64 1.02 -1.26 -4.90 118.68 113.75 3dfa s LEU 226 Ca -0.01 2.63 0.14 0.00 0.02 0.00 0.00 54.13 56.91 3dfa s LEU 226 Cb 0.10 -3.63 1.04 0.00 0.02 0.00 0.00 46.19 43.72 3dfa s LEU 226 CO 0.80 -0.58 1.70 1.55 0.02 0.00 0.00 176.35 179.84 3dfa h PRO 227 N 4.25 0.39 -0.96 1.29 0.13 -2.03 0.32 132.00 135.41 3dfa h PRO 227 Ca -0.47 -0.02 0.28 0.00 -0.87 0.00 0.00 66.00 64.91 3dfa h PRO 227 Cb 1.22 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3dfa h PRO 227 CO 0.71 0.26 0.90 1.96 -0.23 0.00 0.00 178.00 181.61 3dfa h GLN 228 N 0.41 0.00 0.00 0.86 4.20 -1.96 0.18 115.11 118.80 3dfa h GLN 228 Ca 0.69 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.40 3dfa h GLN 228 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 3dfa h GLN 228 CO -0.51 0.00 -0.51 -1.49 -0.67 0.00 0.00 178.83 175.65 3dfa h TRP 229 N 0.00 0.00 -0.79 2.96 4.06 -0.64 -3.40 115.95 118.13 3dfa h TRP 229 Ca 0.45 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.51 3dfa h TRP 229 Cb 2.25 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 30.36 3dfa h TRP 229 CO 0.00 0.00 0.52 -0.09 -3.56 0.00 0.00 178.44 175.31 3dfa h ARG 230 N 0.00 0.65 -0.25 0.49 9.65 -0.73 -2.36 114.38 121.83 3dfa h ARG 230 Ca 0.00 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 3dfa h ARG 230 Cb 0.78 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 3dfa h ARG 230 CO 0.00 0.43 -0.02 0.25 2.80 0.00 0.00 179.97 183.43 3dfa n THR 231 N -4.51 2.30 -3.64 0.20 -2.24 -1.26 -4.98 114.28 100.15 3dfa n THR 231 Ca 0.14 -2.14 -0.35 0.00 -2.27 0.00 0.00 64.05 59.43 3dfa n THR 231 Cb 0.38 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 3dfa n THR 231 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dfa s ILE 232 N -2.94 5.17 0.55 2.28 1.01 -0.89 -5.06 121.20 121.32 3dfa s ILE 232 Ca 0.41 0.34 -0.20 0.00 0.00 0.00 0.00 60.65 61.20 3dfa s ILE 232 Cb 0.35 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3dfa s ILE 232 CO 0.06 0.31 1.21 -0.94 0.00 0.00 0.00 174.94 175.58 3dfa s SER 233 N -1.76 5.46 0.33 3.58 1.04 -1.26 -4.91 113.70 116.17 3dfa s SER 233 Ca 0.31 2.40 0.05 0.00 0.48 0.00 0.00 55.95 59.19 3dfa s SER 233 Cb -0.14 -2.60 0.68 0.00 0.10 0.00 0.00 66.02 64.06 3dfa s SER 233 CO 0.18 -1.41 1.88 0.44 0.98 0.00 0.00 173.24 175.31 3dfa h ASP 234 N 1.24 0.78 -0.76 7.02 3.32 -1.97 -2.44 116.42 123.61 3dfa h ASP 234 Ca -0.50 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3dfa h ASP 234 Cb 1.28 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3dfa h ASP 234 CO 0.57 0.44 0.47 0.44 -1.72 0.00 0.00 179.24 179.44 3dfa h ASP 235 N 0.85 0.90 -0.50 6.45 3.32 -1.99 0.14 116.42 125.60 3dfa h ASP 235 Ca 0.43 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 3dfa h ASP 235 Cb 0.48 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3dfa h ASP 235 CO -0.19 0.69 0.06 0.00 -1.72 0.00 0.00 179.24 178.08 3dfa h ALA 236 N 1.25 0.66 -0.53 3.45 0.00 -1.82 -1.34 119.26 120.93 3dfa h ALA 236 Ca 0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3dfa h ALA 236 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3dfa h ALA 236 CO -0.05 0.41 -0.00 0.87 0.00 0.00 0.00 179.25 180.47 3dfa h LYS 237 N 0.70 0.91 -0.14 0.00 1.57 -1.18 -2.30 116.57 116.14 3dfa h LYS 237 Ca 0.15 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3dfa h LYS 237 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3dfa h LYS 237 CO 0.01 0.91 0.09 0.22 -0.57 0.00 0.00 179.45 180.11 3dfa h ASP 238 N 0.84 0.16 0.23 0.86 3.58 -0.45 -0.26 116.42 121.39 3dfa h ASP 238 Ca 0.16 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.59 3dfa h ASP 238 Cb 0.51 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 3dfa h ASP 238 CO 0.03 0.14 -0.33 0.25 -2.88 0.00 0.00 179.24 176.44 3dfa h LEU 239 N 0.17 -0.91 -0.95 2.28 5.85 -1.10 -1.45 115.31 119.20 3dfa h LEU 239 Ca 0.05 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3dfa h LEU 239 Cb -0.00 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3dfa h LEU 239 CO -0.01 -0.44 0.59 0.40 -0.34 0.00 0.00 178.44 178.64 3dfa h ILE 240 N -0.62 0.94 -0.66 4.05 2.04 -1.33 -0.82 117.51 121.11 3dfa h ILE 240 Ca 0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3dfa h ILE 240 Cb 0.60 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3dfa h ILE 240 CO -0.12 0.18 0.43 0.03 0.00 0.00 0.00 178.15 178.66 3dfa h ARG 241 N 0.97 0.84 -0.12 2.37 3.08 -0.61 0.27 114.38 121.17 3dfa h ARG 241 Ca 0.46 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.32 3dfa h ARG 241 Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3dfa h ARG 241 CO -0.25 0.56 -0.51 0.87 -1.07 0.00 0.00 179.97 179.57 3dfa h LYS 242 N 0.87 0.33 0.03 0.04 1.57 -0.50 -2.61 116.57 116.29 3dfa h LYS 242 Ca 0.25 -0.19 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 3dfa h LYS 242 Cb -0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3dfa h LYS 242 CO -0.07 0.76 -1.06 0.52 -0.57 0.00 0.00 179.45 179.03 3dfa h MET 243 N 0.26 0.06 -0.86 3.15 2.86 -0.84 -3.00 114.93 116.57 3dfa h MET 243 Ca 0.01 -0.10 -0.27 0.00 -2.06 0.00 0.00 59.70 57.27 3dfa h MET 243 Cb 0.99 0.04 -0.16 0.00 0.06 0.00 0.00 31.60 32.52 3dfa h MET 243 CO 0.08 1.04 0.35 1.28 1.06 0.00 0.00 176.91 180.73 3dfa n LEU 244 N -3.39 5.82 -4.73 1.22 4.77 0.91 -3.89 117.00 117.71 3dfa n LEU 244 Ca -0.02 -3.05 -0.42 0.00 -0.03 0.00 0.00 56.01 52.49 3dfa n LEU 244 Cb 0.96 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3dfa n LEU 244 CO 0.48 0.82 1.26 -0.89 -1.33 0.00 0.00 177.39 177.73 3dfa s THR 245 N -2.74 2.29 0.07 -5.08 2.01 -0.99 -4.95 115.64 106.26 3dfa s THR 245 Ca 0.49 0.23 -0.33 0.00 0.31 0.00 0.00 61.69 62.38 3dfa s THR 245 Cb 0.40 -3.14 -0.17 0.00 0.01 0.00 0.00 72.50 69.59 3dfa s THR 245 CO 0.11 0.03 1.51 0.15 -0.69 0.00 0.00 174.62 175.73 3dfa h PHE 246 N 5.99 -1.22 -3.11 4.92 3.57 -1.92 -3.41 116.94 121.76 3dfa h PHE 246 Ca -0.44 -0.01 -0.56 0.00 3.53 0.00 0.00 57.97 60.49 3dfa h PHE 246 Cb 1.21 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 40.37 3dfa h PHE 246 CO 0.62 -0.66 0.69 -1.01 -2.23 0.00 0.00 178.31 175.73 3dfa s HIS 247 N -5.62 3.24 0.27 0.41 3.76 -1.26 -4.87 115.29 111.22 3dfa s HIS 247 Ca -0.17 1.29 -0.00 0.00 -0.15 0.00 0.00 55.06 56.03 3dfa s HIS 247 Cb 0.03 -3.37 0.49 0.00 1.11 0.00 0.00 32.58 30.84 3dfa s HIS 247 CO 0.54 -1.08 1.85 -1.00 -0.85 0.00 0.00 174.74 174.20 3dfa h PRO 248 N 7.44 1.03 0.00 8.40 0.13 -1.94 0.11 132.00 147.17 3dfa h PRO 248 Ca -0.32 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3dfa h PRO 248 Cb 1.15 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3dfa h PRO 248 CO 0.89 0.68 -0.09 0.66 -0.23 0.00 0.00 178.00 179.90 3dfa h SER 249 N 1.06 0.00 0.34 1.44 4.64 -1.96 -1.83 113.55 117.24 3dfa h SER 249 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3dfa h SER 249 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3dfa h SER 249 CO -0.23 0.09 -0.80 0.18 -0.87 0.00 0.00 176.83 175.20 3dfa n LEU 250 N -4.20 0.68 -4.78 5.97 4.77 -0.16 -4.93 117.00 114.36 3dfa n LEU 250 Ca -0.03 -0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 3dfa n LEU 250 Cb 0.17 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3dfa n LEU 250 CO 0.33 0.14 0.77 -0.60 -1.33 0.00 0.00 177.39 176.70 3dfa s ARG 251 N -3.06 3.66 0.52 3.23 3.52 -0.16 -4.97 118.95 121.70 3dfa s ARG 251 Ca 0.08 1.57 -0.19 0.00 -0.13 0.00 0.00 55.73 57.06 3dfa s ARG 251 Cb 0.16 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 31.30 3dfa s ARG 251 CO 0.78 -0.59 1.06 -1.50 -0.81 0.00 0.00 175.30 174.24 3dfa s ILE 252 N -1.76 3.67 0.85 4.11 1.10 -1.14 -4.99 121.20 123.05 3dfa s ILE 252 Ca 0.67 0.98 -0.12 0.00 -0.51 0.00 0.00 60.65 61.67 3dfa s ILE 252 Cb -0.23 -3.40 0.11 0.00 0.15 0.00 0.00 42.46 39.09 3dfa s ILE 252 CO 0.27 -0.29 1.16 0.42 -2.11 0.00 0.00 174.94 174.39 3dfa s THR 253 N -2.05 2.00 0.31 4.00 -4.23 -1.26 -4.93 115.64 109.48 3dfa s THR 253 Ca 0.67 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 3dfa s THR 253 Cb -0.18 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 70.85 3dfa s THR 253 CO 0.25 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.08 3dfa h ALA 254 N -1.25 1.19 -0.45 3.99 0.00 -1.95 -2.35 119.26 118.44 3dfa h ALA 254 Ca -0.48 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 3dfa h ALA 254 Cb 1.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dfa h ALA 254 CO 0.64 0.53 -0.18 1.15 0.00 0.00 0.00 179.25 181.40 3dfa h THR 255 N 0.27 1.27 -0.04 0.00 2.02 -1.94 -1.60 112.91 112.89 3dfa h THR 255 Ca 0.04 -1.30 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 3dfa h THR 255 Cb 0.68 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3dfa h THR 255 CO 0.05 0.45 -0.34 1.56 0.37 0.00 0.00 175.52 177.60 3dfa h GLN 256 N 0.77 0.08 0.10 6.66 4.20 -1.89 -1.90 115.11 123.13 3dfa h GLN 256 Ca 0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3dfa h GLN 256 Cb 0.71 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3dfa h GLN 256 CO 0.05 0.41 -0.05 0.00 -0.67 0.00 0.00 178.83 178.58 3dfa h LEU 258 N -0.43 0.00 -2.84 0.00 6.46 -0.96 -2.39 115.31 115.16 3dfa h LEU 258 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3dfa h LEU 258 Cb 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 3dfa h LEU 258 CO 0.02 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.22 3dfa n GLU 259 N -3.53 2.74 -1.98 1.25 1.02 -0.74 -4.77 120.64 114.63 3dfa n GLU 259 Ca -0.00 -1.69 -0.41 0.00 -0.02 0.00 0.00 57.16 55.03 3dfa n GLU 259 Cb 0.26 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3dfa n GLU 259 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dfa s HIS 260 N -0.96 2.89 0.57 -0.32 2.46 -0.70 -4.87 115.29 114.36 3dfa s HIS 260 Ca 0.10 1.19 0.34 0.00 0.47 0.00 0.00 55.06 57.17 3dfa s HIS 260 Cb 0.05 -3.84 1.44 0.00 -0.13 0.00 0.00 32.58 30.10 3dfa s HIS 260 CO 0.07 -2.52 1.72 -1.35 -2.47 0.00 0.00 174.74 170.19 3dfa h PRO 261 N 3.86 0.00 -0.35 2.88 0.11 -1.91 -0.39 132.00 136.19 3dfa h PRO 261 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3dfa h PRO 261 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3dfa h PRO 261 CO 0.70 0.00 -0.29 2.35 -0.21 0.00 0.00 178.00 180.54 3dfa h TRP 262 N 0.00 0.97 -0.40 0.65 7.01 -1.90 -2.26 115.95 120.03 3dfa h TRP 262 Ca 0.49 -0.28 -0.10 0.00 2.11 0.00 0.00 58.89 61.11 3dfa h TRP 262 Cb 2.24 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 29.08 3dfa h TRP 262 CO 0.00 1.06 -0.18 0.82 -2.79 0.00 0.00 178.44 177.35 3dfa h ILE 263 N 0.61 1.26 -0.02 2.65 5.03 -1.38 -3.20 117.51 122.47 3dfa h ILE 263 Ca 0.06 -1.26 -0.12 0.00 -0.12 0.00 0.00 64.86 63.42 3dfa h ILE 263 Cb 0.87 1.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.79 3dfa h ILE 263 CO 0.08 0.42 -0.55 1.56 -0.68 0.00 0.00 178.15 178.97 3dfa h GLN 264 N 0.67 0.07 0.00 2.37 4.20 -1.43 -3.05 115.11 117.94 3dfa h GLN 264 Ca 0.10 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3dfa h GLN 264 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3dfa h GLN 264 CO 0.05 0.61 -0.27 0.87 -0.67 0.00 0.00 178.83 179.41 3dfa h LYS 265 N 0.05 0.00 -0.36 1.46 1.79 -1.40 -3.11 116.57 115.01 3dfa h LYS 265 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dfa h LYS 265 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3dfa h LYS 265 CO 0.08 0.27 0.00 0.66 -1.08 0.00 0.00 179.45 179.38 3dfa n TYR 266 N -4.06 0.84 0.43 -1.35 4.01 -1.16 -5.13 117.16 110.74 3dfa n TYR 266 Ca -0.02 -0.68 0.05 0.00 -0.16 0.00 0.00 57.90 57.09 3dfa n TYR 266 Cb 0.34 -0.19 0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3dfa n TYR 266 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83